SCHEMBL5144265

SCHEMBL5144265

CN(C)c1ccccc1NC(=O)CCCCc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.53
HDAC2 Q92769 7/20 0.50
HDAC1 Q13547 7/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
NCOR2 Q9Y618 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
NCOR1 O75376 1/20 0.49
KCNQ2 O43526 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5142117 0.83 RAB9A (0.55) HDAC3HDAC1KCNQ2RAB9ANPC1
SCHEMBL29952838 0.81 HDAC3 (0.53) HDAC3HDAC2HDAC1HDAC10HDAC8
SCHEMBL18248481 0.80 CETP (0.63) HDAC3HDAC2HDAC1HDAC10HDAC8
SCHEMBL6934770 0.79 CETP (0.61) HDAC3HDAC2HDAC1HDAC10HDAC8
SCHEMBL29951577 0.78 GAA (0.51) HDAC3HDAC2HDAC1HDAC10HDAC8
SCHEMBL1919287 0.77 NOS1 (0.50) HDAC3HDAC1
SCHEMBL1919291 0.77 NOS1 (0.50) HDAC3HDAC1
Hydrochloric Acid SCHEMBL5143822 0.76 NOS1 (0.49) HDAC3HDAC1
Hydrochloric Acid SCHEMBL5143820 0.76 NOS1 (0.49) HDAC3HDAC1
SCHEMBL29951744 0.75 CYP2C19 (0.56) HDAC3KCNQ2MAPTMAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100406449-C CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2008-07-30 CN disclosed
US-7196084-B2 Cdc25 phosphatase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-27 US disclosed
US-20060235027-A1 Inhibitors of cdc25 phosphatases SCRAS 2006-10-19 US disclosed
US-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 US disclosed
EP-1602368-A2 Cdc25 phosphatase inhibitors Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-12-07 EP disclosed
US-20040034103-A1 Cdc25 photophatase inhibitors IPSEN PHARMA S.A.S. (FR) 2004-02-19 US disclosed
EP-1370255-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-17 EP disclosed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040034103-A1 Cdc25 photophatase inhibitors CDC25C, CDC25A, CDC25B HDAC3 899/4885HDAC2 1243/4885HDAC1 653/4885
US-20060154933-A1 Inhibitors of Cdc25 phosphatases CDC25A, CDC25C, CDC25B HDAC3 1118/4885HDAC2 719/4885HDAC1 404/4885
US-20060235027-A1 Inhibitors of cdc25 phosphatases CDC25A, CDC25C, CDC25B HDAC3 1118/4885HDAC2 719/4885HDAC1 404/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.